HEADER PROTEIN 20-JUN-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 20-JUN-21 0 HETATM 1 C UNK 0 0.503 -9.406 2.454 0.00 0.00 C+0 HETATM 2 C UNK 0 -0.107 -8.165 3.108 0.00 0.00 C+0 HETATM 3 C UNK 0 -0.812 -7.314 2.054 0.00 0.00 C+0 HETATM 4 C UNK 0 0.920 -7.411 3.982 0.00 0.00 C+0 HETATM 5 O UNK 0 0.250 -6.388 4.728 0.00 0.00 O+0 HETATM 6 C UNK 0 2.175 -6.819 3.286 0.00 0.00 C+0 HETATM 7 O UNK 0 3.144 -6.605 4.334 0.00 0.00 O+0 HETATM 8 C UNK 0 1.964 -5.446 2.619 0.00 0.00 C+0 HETATM 9 C UNK 0 2.990 -5.084 1.514 0.00 0.00 C+0 HETATM 10 C UNK 0 4.434 -5.288 2.009 0.00 0.00 C+0 HETATM 11 C UNK 0 2.820 -3.623 0.987 0.00 0.00 C+0 HETATM 12 C UNK 0 3.791 -3.260 -0.197 0.00 0.00 C+0 HETATM 13 O UNK 0 4.051 -4.401 -1.011 0.00 0.00 O+0 HETATM 14 C UNK 0 5.283 -4.327 -1.738 0.00 0.00 C+0 HETATM 15 O UNK 0 5.173 -3.337 -2.762 0.00 0.00 O+0 HETATM 16 C UNK 0 6.343 -3.219 -3.573 0.00 0.00 C+0 HETATM 17 C UNK 0 6.100 -2.084 -4.578 0.00 0.00 C+0 HETATM 18 O UNK 0 7.212 -1.932 -5.456 0.00 0.00 O+0 HETATM 19 C UNK 0 6.651 -4.544 -4.291 0.00 0.00 C+0 HETATM 20 O UNK 0 7.879 -4.500 -5.028 0.00 0.00 O+0 HETATM 21 C UNK 0 6.777 -5.662 -3.259 0.00 0.00 C+0 HETATM 22 O UNK 0 6.935 -6.929 -3.922 0.00 0.00 O+0 HETATM 23 C UNK 0 5.558 -5.721 -2.342 0.00 0.00 C+0 HETATM 24 O UNK 0 5.813 -6.701 -1.320 0.00 0.00 O+0 HETATM 25 C UNK 0 3.074 -2.181 -1.032 0.00 0.00 C+0 HETATM 26 C UNK 0 1.870 -1.793 -0.190 0.00 0.00 C+0 HETATM 27 C UNK 0 0.727 -1.040 -0.884 0.00 0.00 C+0 HETATM 28 C UNK 0 1.240 0.217 -1.596 0.00 0.00 C+0 HETATM 29 C UNK 0 0.094 1.060 -2.108 0.00 0.00 C+0 HETATM 30 O UNK 0 0.079 1.495 -3.257 0.00 0.00 O+0 HETATM 31 C UNK 0 -0.970 1.411 -1.079 0.00 0.00 C+0 HETATM 32 C UNK 0 -2.034 2.363 -1.630 0.00 0.00 C+0 HETATM 33 C UNK 0 -3.030 2.770 -0.540 0.00 0.00 C+0 HETATM 34 O UNK 0 -4.134 3.508 -1.073 0.00 0.00 O+0 HETATM 35 C UNK 0 -3.808 4.821 -1.542 0.00 0.00 C+0 HETATM 36 O UNK 0 -3.245 5.614 -0.502 0.00 0.00 O+0 HETATM 37 C UNK 0 -2.897 6.941 -0.938 0.00 0.00 C+0 HETATM 38 C UNK 0 -2.235 7.646 0.258 0.00 0.00 C+0 HETATM 39 O UNK 0 -1.627 8.870 -0.140 0.00 0.00 O+0 HETATM 40 C UNK 0 -0.936 9.515 0.934 0.00 0.00 C+0 HETATM 41 O UNK 0 -1.819 9.822 2.012 0.00 0.00 O+0 HETATM 42 C UNK 0 -1.144 10.473 3.097 0.00 0.00 C+0 HETATM 43 C UNK 0 -2.129 10.670 4.257 0.00 0.00 C+0 HETATM 44 O UNK 0 -1.475 11.117 5.440 0.00 0.00 O+0 HETATM 45 C UNK 0 -0.560 11.818 2.632 0.00 0.00 C+0 HETATM 46 O UNK 0 0.153 12.469 3.691 0.00 0.00 O+0 HETATM 47 C UNK 0 0.381 11.584 1.450 0.00 0.00 C+0 HETATM 48 O UNK 0 0.838 12.854 0.958 0.00 0.00 O+0 HETATM 49 C UNK 0 -0.334 10.807 0.349 0.00 0.00 C+0 HETATM 50 O UNK 0 0.599 10.524 -0.705 0.00 0.00 O+0 HETATM 51 C UNK 0 -4.140 7.695 -1.452 0.00 0.00 C+0 HETATM 52 O UNK 0 -3.805 8.958 -2.034 0.00 0.00 O+0 HETATM 53 C UNK 0 -4.859 6.863 -2.519 0.00 0.00 C+0 HETATM 54 O UNK 0 -6.094 7.511 -2.868 0.00 0.00 O+0 HETATM 55 C UNK 0 -5.127 5.448 -2.025 0.00 0.00 C+0 HETATM 56 O UNK 0 -5.715 4.687 -3.092 0.00 0.00 O+0 HETATM 57 C UNK 0 -3.623 1.542 0.158 0.00 0.00 C+0 HETATM 58 C UNK 0 -2.561 0.558 0.654 0.00 0.00 C+0 HETATM 59 C UNK 0 -1.559 0.119 -0.448 0.00 0.00 C+0 HETATM 60 C UNK 0 -2.317 -0.731 -1.501 0.00 0.00 C+0 HETATM 61 C UNK 0 -0.361 -0.691 0.180 0.00 0.00 C+0 HETATM 62 C UNK 0 -0.787 -1.940 0.986 0.00 0.00 C+0 HETATM 63 C UNK 0 0.398 -2.743 1.554 0.00 0.00 C+0 HETATM 64 C UNK 0 1.428 -3.124 0.471 0.00 0.00 C+0 HETATM 65 C UNK 0 0.806 -4.136 -0.520 0.00 0.00 C+0 HETATM 66 H UNK 0 -0.276 -10.008 1.972 0.00 0.00 H+0 HETATM 67 H UNK 0 1.238 -9.142 1.688 0.00 0.00 H+0 HETATM 68 H UNK 0 0.996 -10.039 3.200 0.00 0.00 H+0 HETATM 69 H UNK 0 -0.897 -8.509 3.791 0.00 0.00 H+0 HETATM 70 H UNK 0 -1.208 -6.388 2.482 0.00 0.00 H+0 HETATM 71 H UNK 0 -0.143 -7.066 1.225 0.00 0.00 H+0 HETATM 72 H UNK 0 -1.658 -7.865 1.627 0.00 0.00 H+0 HETATM 73 H UNK 0 1.270 -8.127 4.739 0.00 0.00 H+0 HETATM 74 H UNK 0 0.952 -5.920 5.221 0.00 0.00 H+0 HETATM 75 H UNK 0 2.601 -7.539 2.581 0.00 0.00 H+0 HETATM 76 H UNK 0 3.515 -7.476 4.565 0.00 0.00 H+0 HETATM 77 H UNK 0 0.978 -5.436 2.162 0.00 0.00 H+0 HETATM 78 H UNK 0 1.981 -4.659 3.383 0.00 0.00 H+0 HETATM 79 H UNK 0 2.827 -5.783 0.683 0.00 0.00 H+0 HETATM 80 H UNK 0 4.633 -6.339 2.239 0.00 0.00 H+0 HETATM 81 H UNK 0 5.176 -5.001 1.260 0.00 0.00 H+0 HETATM 82 H UNK 0 4.627 -4.694 2.909 0.00 0.00 H+0 HETATM 83 H UNK 0 3.093 -2.958 1.823 0.00 0.00 H+0 HETATM 84 H UNK 0 4.725 -2.868 0.226 0.00 0.00 H+0 HETATM 85 H UNK 0 6.090 -4.061 -1.043 0.00 0.00 H+0 HETATM 86 H UNK 0 7.200 -2.936 -2.947 0.00 0.00 H+0 HETATM 87 H UNK 0 5.203 -2.281 -5.175 0.00 0.00 H+0 HETATM 88 H UNK 0 5.936 -1.141 -4.044 0.00 0.00 H+0 HETATM 89 H UNK 0 7.027 -1.143 -6.001 0.00 0.00 H+0 HETATM 90 H UNK 0 5.854 -4.794 -5.001 0.00 0.00 H+0 HETATM 91 H UNK 0 7.906 -3.622 -5.472 0.00 0.00 H+0 HETATM 92 H UNK 0 7.690 -5.531 -2.663 0.00 0.00 H+0 HETATM 93 H UNK 0 7.616 -6.767 -4.607 0.00 0.00 H+0 HETATM 94 H UNK 0 4.680 -6.071 -2.898 0.00 0.00 H+0 HETATM 95 H UNK 0 6.085 -7.504 -1.809 0.00 0.00 H+0 HETATM 96 H UNK 0 2.765 -2.559 -2.013 0.00 0.00 H+0 HETATM 97 H UNK 0 3.733 -1.323 -1.202 0.00 0.00 H+0 HETATM 98 H UNK 0 2.252 -1.124 0.600 0.00 0.00 H+0 HETATM 99 H UNK 0 0.291 -1.690 -1.650 0.00 0.00 H+0 HETATM 100 H UNK 0 1.839 0.842 -0.922 0.00 0.00 H+0 HETATM 101 H UNK 0 1.873 -0.059 -2.447 0.00 0.00 H+0 HETATM 102 H UNK 0 -0.432 1.969 -0.297 0.00 0.00 H+0 HETATM 103 H UNK 0 -1.539 3.257 -2.028 0.00 0.00 H+0 HETATM 104 H UNK 0 -2.562 1.930 -2.488 0.00 0.00 H+0 HETATM 105 H UNK 0 -2.517 3.374 0.220 0.00 0.00 H+0 HETATM 106 H UNK 0 -3.109 4.733 -2.383 0.00 0.00 H+0 HETATM 107 H UNK 0 -2.153 6.872 -1.744 0.00 0.00 H+0 HETATM 108 H UNK 0 -2.983 7.825 1.039 0.00 0.00 H+0 HETATM 109 H UNK 0 -1.471 6.985 0.686 0.00 0.00 H+0 HETATM 110 H UNK 0 -0.138 8.843 1.275 0.00 0.00 H+0 HETATM 111 H UNK 0 -0.332 9.827 3.460 0.00 0.00 H+0 HETATM 112 H UNK 0 -2.637 9.727 4.486 0.00 0.00 H+0 HETATM 113 H UNK 0 -2.909 11.392 3.991 0.00 0.00 H+0 HETATM 114 H UNK 0 -0.846 11.821 5.170 0.00 0.00 H+0 HETATM 115 H UNK 0 -1.366 12.496 2.324 0.00 0.00 H+0 HETATM 116 H UNK 0 0.646 13.195 3.251 0.00 0.00 H+0 HETATM 117 H UNK 0 1.284 11.053 1.776 0.00 0.00 H+0 HETATM 118 H UNK 0 1.262 12.656 0.098 0.00 0.00 H+0 HETATM 119 H UNK 0 -1.122 11.431 -0.094 0.00 0.00 H+0 HETATM 120 H UNK 0 0.097 9.972 -1.340 0.00 0.00 H+0 HETATM 121 H UNK 0 -4.831 7.892 -0.622 0.00 0.00 H+0 HETATM 122 H UNK 0 -4.636 9.283 -2.435 0.00 0.00 H+0 HETATM 123 H UNK 0 -4.269 6.842 -3.444 0.00 0.00 H+0 HETATM 124 H UNK 0 -6.577 6.858 -3.413 0.00 0.00 H+0 HETATM 125 H UNK 0 -5.865 5.466 -1.214 0.00 0.00 H+0 HETATM 126 H UNK 0 -5.728 3.763 -2.768 0.00 0.00 H+0 HETATM 127 H UNK 0 -4.327 1.036 -0.514 0.00 0.00 H+0 HETATM 128 H UNK 0 -4.235 1.873 1.007 0.00 0.00 H+0 HETATM 129 H UNK 0 -3.076 -0.313 1.076 0.00 0.00 H+0 HETATM 130 H UNK 0 -2.013 1.028 1.480 0.00 0.00 H+0 HETATM 131 H UNK 0 -1.667 -1.066 -2.315 0.00 0.00 H+0 HETATM 132 H UNK 0 -2.766 -1.619 -1.048 0.00 0.00 H+0 HETATM 133 H UNK 0 -3.135 -0.178 -1.972 0.00 0.00 H+0 HETATM 134 H UNK 0 0.119 -0.021 0.911 0.00 0.00 H+0 HETATM 135 H UNK 0 -1.415 -1.638 1.833 0.00 0.00 H+0 HETATM 136 H UNK 0 -1.403 -2.603 0.371 0.00 0.00 H+0 HETATM 137 H UNK 0 0.883 -2.145 2.336 0.00 0.00 H+0 HETATM 138 H UNK 0 -0.011 -3.626 2.051 0.00 0.00 H+0 HETATM 139 H UNK 0 1.495 -4.427 -1.317 0.00 0.00 H+0 HETATM 140 H UNK 0 -0.090 -3.748 -1.011 0.00 0.00 H+0 HETATM 141 H UNK 0 0.505 -5.054 -0.007 0.00 0.00 H+0 CONECT 1 2 66 67 68 CONECT 2 4 1 3 69 CONECT 3 2 70 71 72 CONECT 4 6 2 5 73 CONECT 5 4 74 CONECT 6 8 4 7 75 CONECT 7 6 76 CONECT 8 9 6 77 78 CONECT 9 11 10 8 79 CONECT 10 9 80 81 82 CONECT 11 12 64 9 83 CONECT 12 25 11 13 84 CONECT 13 12 14 CONECT 14 23 15 13 85 CONECT 15 16 14 CONECT 16 19 15 17 86 CONECT 17 18 16 87 88 CONECT 18 17 89 CONECT 19 21 16 20 90 CONECT 20 19 91 CONECT 21 23 19 22 92 CONECT 22 21 93 CONECT 23 14 21 24 94 CONECT 24 23 95 CONECT 25 26 12 96 97 CONECT 26 27 64 25 98 CONECT 27 28 61 26 99 CONECT 28 29 27 100 101 CONECT 29 31 28 30 CONECT 30 29 CONECT 31 32 59 29 102 CONECT 32 33 31 103 104 CONECT 33 57 32 34 105 CONECT 34 33 35 CONECT 35 55 36 34 106 CONECT 36 37 35 CONECT 37 51 36 38 107 CONECT 38 39 37 108 109 CONECT 39 38 40 CONECT 40 49 41 39 110 CONECT 41 42 40 CONECT 42 45 41 43 111 CONECT 43 44 42 112 113 CONECT 44 43 114 CONECT 45 47 42 46 115 CONECT 46 45 116 CONECT 47 49 45 48 117 CONECT 48 47 118 CONECT 49 40 47 50 119 CONECT 50 49 120 CONECT 51 52 53 37 121 CONECT 52 51 122 CONECT 53 54 55 51 123 CONECT 54 53 124 CONECT 55 56 35 53 125 CONECT 56 55 126 CONECT 57 33 58 127 128 CONECT 58 57 59 129 130 CONECT 59 58 31 61 60 CONECT 60 59 131 132 133 CONECT 61 59 27 62 134 CONECT 62 61 63 135 136 CONECT 63 64 62 137 138 CONECT 64 63 26 11 65 CONECT 65 64 139 140 141 CONECT 66 1 CONECT 67 1 CONECT 68 1 CONECT 69 2 CONECT 70 3 CONECT 71 3 CONECT 72 3 CONECT 73 4 CONECT 74 5 CONECT 75 6 CONECT 76 7 CONECT 77 8 CONECT 78 8 CONECT 79 9 CONECT 80 10 CONECT 81 10 CONECT 82 10 CONECT 83 11 CONECT 84 12 CONECT 85 14 CONECT 86 16 CONECT 87 17 CONECT 88 17 CONECT 89 18 CONECT 90 19 CONECT 91 20 CONECT 92 21 CONECT 93 22 CONECT 94 23 CONECT 95 24 CONECT 96 25 CONECT 97 25 CONECT 98 26 CONECT 99 27 CONECT 100 28 CONECT 101 28 CONECT 102 31 CONECT 103 32 CONECT 104 32 CONECT 105 33 CONECT 106 35 CONECT 107 37 CONECT 108 38 CONECT 109 38 CONECT 110 40 CONECT 111 42 CONECT 112 43 CONECT 113 43 CONECT 114 44 CONECT 115 45 CONECT 116 46 CONECT 117 47 CONECT 118 48 CONECT 119 49 CONECT 120 50 CONECT 121 51 CONECT 122 52 CONECT 123 53 CONECT 124 54 CONECT 125 55 CONECT 126 56 CONECT 127 57 CONECT 128 57 CONECT 129 58 CONECT 130 58 CONECT 131 60 CONECT 132 60 CONECT 133 60 CONECT 134 61 CONECT 135 62 CONECT 136 62 CONECT 137 63 CONECT 138 63 CONECT 139 65 CONECT 140 65 CONECT 141 65 MASTER 0 0 0 0 0 0 0 0 141 0 294 0 END